N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide

C19H19N3O4 — CID 56951332

IUPACN-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide
SMILESCc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)C2CCCNC2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-13-4-8-15(9-5-13)21(17-3-2-12-20-18(17)23)19(24)14-6-10-16(11-7-14)22(25)26/h4-11,17H,2-3,12H2,1H3,(H,20,23)
InChIKeyJCWGFKFZWRWCFY-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.83
Rot. Bonds4

About N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide

N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide (PubChem CID 56951332) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide
PubChem CID56951332
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide
SMILESCc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)C2CCCNC2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-13-4-8-15(9-5-13)21(17-3-2-12-20-18(17)23)19(24)14-6-10-16(11-7-14)22(25)26/h4-11,17H,2-3,12H2,1H3,(H,20,23)
InChIKeyJCWGFKFZWRWCFY-UHFFFAOYSA-N
XLogP2.83
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide?
The IUPAC name of N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide (CID 56951332) is N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide is Cc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)C2CCCNC2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide?
The InChIKey is JCWGFKFZWRWCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13-4-8-15(9-5-13)21(17-3-2-12-20-18(17)23)19(24)14-6-10-16(11-7-14)22(25)26/h4-11,17H,2-3,12H2,1H3,(H,20,23).
What are the key properties of N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide?
N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 56951332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).